UniProt P9WNY5
Probable 3-hydroxyisobutyrate dehydrogenase (P9WNY5)
Probable 3-hydroxyisobutyrate dehydrogenase (UniProt P9WNY5), EC 1.1.1.31: 20 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 19 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P9WNY5
- Protein
- Probable 3-hydroxyisobutyrate dehydrogenase
- EC
- 1.1.1.31
- Experimental structures
- 20
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 19 · 9 records with a druggable one
Structures
21 records of P9WNY5 in the MolNFT archive: 20 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5Y8G | Mycobacterium tuberculosis 3-Hydroxyisobutyrate Dehydrogenase (MtHIBADH) | x-ray diffraction | A, B | AKR, 9ON | 2 (best 0.64) |
| 5Y8G | Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) | x-ray diffraction | A, B | AKR, 9ON | — |
| 5Y8H | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD+ | x-ray diffraction | A, B | NAD, AKR, MG, 9ON | 2 (best 0.65) |
| 5Y8H | Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD+ | x-ray diffraction | A, B | NAD, AKR, MG, 9ON | — |
| 5Y8I | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + (S)-3-hydroxyisobutyrate… | x-ray diffraction | A, B | 9ON, HUI | 3 (best 0.64) |
| 5Y8I | Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + (S)-3-hydroxyisobutyrate… | x-ray diffraction | A, B | 9ON, HUI | — |
| 5Y8J | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + (R)-3-hydroxyisobutyrate… | x-ray diffraction | A, B | AKR, 9ON, HIU | 2 (best 0.63) |
| 5Y8J | Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + (R)-3-hydroxyisobutyrate… | x-ray diffraction | A, B | AKR, 9ON, HIU | — |
| 5Y8K | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + L-serine | x-ray diffraction | A, B | SER, 9ON, AKR | 2 (best 0.63) |
| 5Y8K | Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + L-serine | x-ray diffraction | A, B | 9ON, AKR | — |
| 5Y8L | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD… | x-ray diffraction | A, B | NAD, 9ON, HUI | — |
| 5Y8L | Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD… | x-ray diffraction | A, B | NAD, 9ON, HUI | — |
| 5Y8M | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD +… | x-ray diffraction | A, B | AKR, 9ON, NAD, HIU | 2 (best 0.63) |
| 5Y8M | Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD +… | x-ray diffraction | A, B | AKR, 9ON, NAD, HIU | — |
| 5Y8N | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + L-serine | x-ray diffraction | A, B | NAD, SER, AKR, 9ON | 2 (best 0.64) |
| 5Y8N | Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD + L-serine | x-ray diffraction | A, B | NAD, AKR, 9ON | — |
| 5Y8O | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + 3-Hydroxy… | x-ray diffraction | A, B | AKR, 9ON, NAD, 3OH | 3 (best 0.63) |
| 5Y8O | Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD + 3-hydroxy… | x-ray diffraction | A, B | AKR, 9ON, NAD, 3OH | — |
| 5Y8P | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + 3-Hydroxy propionate… | x-ray diffraction | A, B | 9ON, 3OH, AKR | — |
| 5Y8P | Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + 3-hydroxy propionate… | x-ray diffraction | A, B | 9ON, 3OH, AKR | — |
| P9WNY5 | AlphaFold monomer V2.0 prediction for probable 3-hydroxyisobutyrate dehydrogenase (P9WNY5) | predicted | A | — | 1 (best 0.65) |
Ligands
- 9ON · (2~{S})-2-methylpentanedioic acid · in 20 records
- AKR · Acrylic acid · in 16 records
- NAD · Nicotinamide-adenine-dinucleotide · in 10 records
- 3OH · 3-hydroxy-propanoic acid · in 4 records
- HIU · (2R)-3-hydroxy-2-methylpropanoic acid · in 4 records
- HUI · (2S)-2-methyl-3-oxidanyl-propanoic acid · in 4 records
- MG · Magnesium ion · in 2 records
- SER · Serine · in 2 records
Experiment against prediction
- 5Y8M chain B against the predicted model P9WNY5: TM-score 0.97, RMSD 1.09 Å
- 5Y8M chain B against the predicted model P9WNY5: TM-score 0.97, RMSD 1.09 Å
- 5Y8P chain B against the predicted model P9WNY5: TM-score 0.97, RMSD 1.10 Å
- 5Y8P chain B against the predicted model P9WNY5: TM-score 0.97, RMSD 1.10 Å
- 5Y8L chain B against the predicted model P9WNY5: TM-score 0.97, RMSD 1.10 Å
- 5Y8L chain B against the predicted model P9WNY5: TM-score 0.97, RMSD 1.10 Å
- 5Y8H chain B against the predicted model P9WNY5: TM-score 0.97, RMSD 1.14 Å
- 5Y8H chain B against the predicted model P9WNY5: TM-score 0.97, RMSD 1.14 Å
- 5Y8J chain B against the predicted model P9WNY5: TM-score 0.97, RMSD 1.08 Å
- 5Y8J chain B against the predicted model P9WNY5: TM-score 0.97, RMSD 1.08 Å
Elsewhere
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